This book presents a comprehensive review of the methods and approaches being adopted to push forward the boundaries of computational catalysis.

Highlighting the key aspects and latest advances in the rapidly developing field of molecular catalysis, this book covers new strategies to investigate reaction mechanisms, the enhancement of the catalysts' selectivity and efficiency, as well as the rational design of well-defined molecular catalysts. The interdisciplinary author team with an excellent reputation within the community discusses experimental and theoretical studies, along with examples of improved catalysts, and their application in organic synthesis, biocatalysis, and supported organometallic catalysis. As a result, readers will gain a deeper understanding of the catalytic transformations, allowing them to adapt the knowledge to their own investigations. With its ideal combination of fundamental and applied research, this is an essential reference for researchers and graduate students both in academic institutions and in the chemical industry. With a foreword by Nobel laureate Roald Hoffmann.

Heterogeneous Catalysis for Sustainable Energy Explore the state-of-the-art in heterogeneous catalysis In Heterogeneous Catalysis for Sustainable Energy, a team of distinguished researchers delivers a comprehensive and cutting-edge treatment of recent advancements in energy-related catalytic reactions and processes in the field of heterogeneous catalysis. The book includes extensive coverage of the hydrogen economy, methane activation, methanol-to-hydrocarbons, carbon dioxide conversion, and biomass conversion. The authors explore different aspects of the technology, like reaction mechanisms, catalyst synthesis, and the commercial status of the reactions. The book also includes: A thorough introduction to the hydrogen economy, including hydrogen production, the reforming of oxygen-containing chemicals, and advances in Fischer-Tropsch Synthesis Comprehensive explorations of methane activation, including steam and dry reforming of methane and methane activation over zeolite catalysts Practical discussions of alkane activation, including cracking of hydrocarbons to light olefins and catalytic dehydrogenation of light alkanes In-depth examinations of zeolite catalysis and carbon dioxide as C1 building block Perfect for catalytic, physical, and surface chemists, Heterogeneous Catalysis for Sustainable Energy also belongs in the libraries of materials scientists with an interest in energy-related reactions and processes in the field of heterogeneous catalysis.

This book is based on the George Fisher Baker Lecture given by Jean-Michel Savéant at Cornell University in Fall 2002. * The first book focusing on molecular electrochemistry * Relates to other fields, including photochemistry and biochemistry * Outlines clearly the connection between concepts, experimental illustrations, proofs and supporting methods * Appendixes to provide rigorous demonstrations to prevent an overload of algebra in the main text * Applications-oriented, focused on analyzing the results obtained rather than the methodology

This is the first comprehensive book covering all aspects of the use of carbonaceous materials in heterogeneous catalysis. It covers the preparation and characterization of carbon supports and carbon-supported catalysts; carbon surface chemistry in catalysis; the description of catalytic, photo-catalytic, or electro-catalytic reactions, including the development of new carbon materials such as carbon xerogels, aerogels, or carbon nanotubes; and new carbon-based materials in catalytic or adsorption processes. This is a premier reference for carbon, inorganic, and physical chemists, materials scientists and engineers, chemical engineers, and others.

A comprehensive reference on nanoscale materials chemistry—now revised and updated. This extensive text provides twenty-two revised chapters on the preparations, applications, and characterization as well as the environmental and toxicological aspects of nanoscale materials, with an emphasis on the chemistry component. This Second Edition contains core topics including: New synthetic methods for nanomaterials Nanostructured solids Organized two- and three-dimensional nanocrystals Nanotubes, ribbons, and sheets Nanocatalysts, sorbents, and energy applications Unique physical properties of nanomaterials Photochemistry of nanomaterials Biological and environmental aspects of nanomaterials With input from top experts in the field, such as Bruce Dunn, Vicki Grassian, Warren Ford, and Chris Sorensen, among others, Nanoscale Materials in Chemistry presents a balanced survey of different topics in basic nanoparticle science, and includes helpful end-of-chapter questions and answers. Significantly expanded, the Second Edition remains a key text for understanding the fundamentals of nanoscale materials chemistry and a reliable resource for scientists and researchers.